2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

C18H21N5O3S — CID 44560667

IUPAC2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(C(N)=O)cc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C18H21N5O3S/c19-15(24)11-5-3-10(4-6-11)14-8-13(17(27-14)23-18(20)26)16(25)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,19,24)(H,22,25)(H3,20,23,26)/t12-/m0/s1
InChIKeyWDCNWURFEOCGAX-LBPRGKRZSA-N
MW387.47 g/mol
LogP1.49
Rot. Bonds5

About 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 44560667) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID44560667
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(C(N)=O)cc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C18H21N5O3S/c19-15(24)11-5-3-10(4-6-11)14-8-13(17(27-14)23-18(20)26)16(25)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,19,24)(H,22,25)(H3,20,23,26)/t12-/m0/s1
InChIKeyWDCNWURFEOCGAX-LBPRGKRZSA-N
XLogP1.49
TPSA139.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 44560667) is 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(C(N)=O)cc2)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is WDCNWURFEOCGAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N5O3S/c19-15(24)11-5-3-10(4-6-11)14-8-13(17(27-14)23-18(20)26)16(25)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,19,24)(H,22,25)(H3,20,23,26)/t12-/m0/s1.
What are the key properties of 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 1.49, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 44560667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).