4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide

C30H35ClN8O4S — CID 10875964

IUPAC4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C30H35ClN8O4S/c1-36-16-19(13-23(36)27(40)32-8-11-39-9-5-4-6-10-39)33-28(41)24-14-20(17-37(24)2)34-29(42)25-15-21(18-38(25)3)35-30(43)26-22(31)7-12-44-26/h7,12-18H,4-6,8-11H2,1-3H3,(H,32,40)(H,33,41)(H,34,42)(H,35,43)
InChIKeyPVOJBWXSEVHOGU-UHFFFAOYSA-N
MW639.18 g/mol
LogP4.39
Rot. Bonds10

About 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide

4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide (PubChem CID 10875964) has the molecular formula C30H35ClN8O4S and a molecular weight of 639.18 g/mol. Its IUPAC name is 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
PubChem CID10875964
Molecular FormulaC30H35ClN8O4S
Molecular Weight639.18 g/mol
Exact Mass638.22
IUPAC Name4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C30H35ClN8O4S/c1-36-16-19(13-23(36)27(40)32-8-11-39-9-5-4-6-10-39)33-28(41)24-14-20(17-37(24)2)34-29(42)25-15-21(18-38(25)3)35-30(43)26-22(31)7-12-44-26/h7,12-18H,4-6,8-11H2,1-3H3,(H,32,40)(H,33,41)(H,34,42)(H,35,43)
InChIKeyPVOJBWXSEVHOGU-UHFFFAOYSA-N
XLogP4.39
TPSA134.43 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.18
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide (CID 10875964) is 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide is Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide?
The InChIKey is PVOJBWXSEVHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN8O4S/c1-36-16-19(13-23(36)27(40)32-8-11-39-9-5-4-6-10-39)33-28(41)24-14-20(17-37(24)2)34-29(42)25-15-21(18-38(25)3)35-30(43)26-22(31)7-12-44-26/h7,12-18H,4-6,8-11H2,1-3H3,(H,32,40)(H,33,41)(H,34,42)(H,35,43).
What are the key properties of 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide?
4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide has a molecular weight of 639.18 g/mol, XLogP of 4.39, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 10875964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).