2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

C16H17N3O4S2 — CID 7164088

IUPAC2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H17N3O4S2/c17-14(20)13-7-10-24-16(13)18-15(21)11-3-5-12(6-4-11)25(22,23)19-8-1-2-9-19/h3-7,10H,1-2,8-9H2,(H2,17,20)(H,18,21)
InChIKeyRTUPSKOSFSGHHZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.88
Rot. Bonds5

About 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 7164088) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID7164088
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H17N3O4S2/c17-14(20)13-7-10-24-16(13)18-15(21)11-3-5-12(6-4-11)25(22,23)19-8-1-2-9-19/h3-7,10H,1-2,8-9H2,(H2,17,20)(H,18,21)
InChIKeyRTUPSKOSFSGHHZ-UHFFFAOYSA-N
XLogP1.88
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (CID 7164088) is 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is RTUPSKOSFSGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c17-14(20)13-7-10-24-16(13)18-15(21)11-3-5-12(6-4-11)25(22,23)19-8-1-2-9-19/h3-7,10H,1-2,8-9H2,(H2,17,20)(H,18,21).
What are the key properties of 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 7164088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).