2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide

C18H20N4O3S — CID 44560971

IUPAC2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C18H20N4O3S/c19-18(25)22-17-12(10-14(26-17)11-6-2-1-3-7-11)15(23)21-13-8-4-5-9-20-16(13)24/h1-3,6-7,10,13H,4-5,8-9H2,(H,20,24)(H,21,23)(H3,19,22,25)
InChIKeyLMFXRYLPORCMTC-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.30
Rot. Bonds4

About 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide

2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide (PubChem CID 44560971) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide
PubChem CID44560971
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C18H20N4O3S/c19-18(25)22-17-12(10-14(26-17)11-6-2-1-3-7-11)15(23)21-13-8-4-5-9-20-16(13)24/h1-3,6-7,10,13H,4-5,8-9H2,(H,20,24)(H,21,23)(H3,19,22,25)
InChIKeyLMFXRYLPORCMTC-UHFFFAOYSA-N
XLogP2.30
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide (CID 44560971) is 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC1CCCCNC1=O.
What is the InChIKey of 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide?
The InChIKey is LMFXRYLPORCMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c19-18(25)22-17-12(10-14(26-17)11-6-2-1-3-7-11)15(23)21-13-8-4-5-9-20-16(13)24/h1-3,6-7,10,13H,4-5,8-9H2,(H,20,24)(H,21,23)(H3,19,22,25).
What are the key properties of 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide?
2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2-oxoazepan-3-yl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 44560971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).